Geometry & MOs

Info

ID:	294384
PubChem CID:	117455681
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	6.6
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-4-methylsulfonylphenyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C(C)C)C=CC(=C2)C3(CCCC3)N=C=O

DOS

IR

Vibrations